Geometry & MOs

Info

ID:	166350
PubChem CID:	74675502
Reduced:	O3N5C22H31 (1)
Stoich.:	A3B5C22D31 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-103.05
Dipole, Da:	5.42
IP(EA), eV:	-8.74(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N-methyl-1-oxo-8aH-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC2N(C(=O)C3CCCCC3N2N1)CC(=O)NC4=CC=CC(=C4)C(=O)N(C)C

DOS

IR

Vibrations